Monomers
1-Octene
Identifiers
IUPAC name
oct-1-ene
InchI
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
InchI Key
KWKAKUADMBZCLK-UHFFFAOYSA-N
SMILES
CCCCCCC=C
Canonical SMILES
CCCCCCC=C
Isomeric SMILES
CCCCCCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H16
Heavy Atom Count
8
Molecular Weight
112.216
Exact Molecular Weight
112.1252
Valence Electrons
48
Radical Electrons
0
tPSA
0.0
MolLogP
3.1428
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
24 23 0 0 0 0 0 0 0 0999 V2000
-3.5233 0.1654 0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5942 0.0719 -0.3344 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1592 0.2449 0.1837 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2694 0.1487 -1.0259 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1995 0.3029 -0.6765 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6540 -0.7652 0.2876 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0938 -0.6106 0.6117 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7861 0.3639 0.0415 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4667 -0.3611 0.6168 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6871 1.2347 1.1055 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9951 -0.3509 1.7017 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8652 0.9336 -0.9792 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6732 -0.8881 -0.8504 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9711 -0.5343 0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0525 1.2583 0.6333 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5547 0.9802 -1.7035 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4463 -0.8142 -1.5362 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7884 0.1877 -1.6056 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4072 1.3086 -0.2749 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0368 -0.7265 1.2141 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5306 -1.7848 -0.1638 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5606 -1.3064 1.3186 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3574 1.0610 -0.6549 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8436 0.4852 0.2737 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 2 3
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
3 14 1 0
3 15 1 0
4 16 1 0
4 17 1 0
5 18 1 0
5 19 1 0
6 20 1 0
6 21 1 0
7 22 1 0
8 23 1 0
8 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers